[ccp4bb] SHELX precompiled binaries

2008-02-24 Thread George M. Sheldrick
For future releases of the Open Source SHELX, I am planning to provide precompiled binaries only for Windows, Linux and IntelMac from now on. This would save me a lot of hassle because I can then use the Intel compiler throughout and would no longer need to take the idiosyncracies of other

[ccp4bb] significant drop in Rfree ?

2008-02-24 Thread Bernhard Rupp
Dear All: I often read and also used myself the phrase 'a significant drop in R-free' was observed or not upon doing something to the refinement. I am not sure about the determination of 'significance'. We discussed on ccp4bb that the estimated error for R-free is R-free/(n^1/2). This is

Re: [ccp4bb] significant drop in Rfree ?

2008-02-24 Thread Ethan A Merritt
On Sunday 24 February 2008 20:33, Bernhard Rupp wrote: But I cannot use this error to judge whether something I do to the refinement is a significant improvement or not. Indirect proof through argumentum absurdum: Assume the su of Rfree is 0.008, and I build n waters. Rf drops from 24.4